bulk:  Al fcc 4.05
subst:  Cu 3.54
v1: 8303.765625
n1: 500
v1pa: 16.60753125
ene0: -1676.5
ene0pa: -3.353
subst n: 29
ene1nm: -1677.6065
ene1nmf: -0.9195
ene2m: -1677.7894
ene2mf: -1.1024
ene3v: -1677.793
ene3vf: -1.106
esubf: -1.106
V4: 8292.69193772
vintf:  5.53384397234
vintfr:  0.33321291943
